General Information of the Compound
| Compound ID |
CP0024754
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| Compound Name |
tert-butyl 6-[2-chloro-4-(4-methoxypiperidine-1-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
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| Structure |
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| Formula |
C29H33ClN6O4
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| Molecular Weight |
565.074
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| Canonical SMILES |
COC1CCN(CC1)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
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| InChI |
InChI=1S/C29H33ClN6O4/c1-29(2,3)40-28(38)36-24(20-16-32-34(4)17-20)13-19-15-31-26(14-25(19)36)33-23-7-6-18(12-22(23)30)27(37)35-10-8-21(39-5)9-11-35/h6-7,12-17,21H,8-11H2,1-5H3,(H,31,33)
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| InChIKey |
LJGCEOUKEIDVHD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound